SCHEMBL23375451

SCHEMBL23375451

N#CC1(c2ccccc2)CCC(N2CC[C@H](CNC(=O)O)C2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.55
CYP2D6 P10635 1/20 0.55
CHRM4 P08173 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ADRA1D P25100 5/20 0.42
ADRA1A P35348 5/20 0.42
ADRA1B P35368 4/20 0.42
CCR1 P32246 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
OPRL1 P41146 2/20 0.40
OPRM1 P35372 2/20 0.40
BDKRB1 P46663 1/20 0.40
OPRD1 P41143 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23375452 1.00 KDM1A (0.55) KDM1ACYP2D6CHRM4MEN1KMT2A
SCHEMBL28954166 0.94 KDM1A (0.53) KDM1ACYP2D6CHRM4MEN1KMT2A
SCHEMBL23778367 0.89 CYP2D6 (0.52) KDM1ACYP2D6CHRM4MEN1KMT2A
SCHEMBL23778311 0.89 CYP2D6 (0.52) KDM1ACYP2D6CHRM4MEN1KMT2A
SCHEMBL20066070 0.85 CYP2D6 (0.46) KDM1ACYP2D6CHRM4MEN1KMT2A
SCHEMBL23778309 0.77 CYP2D6 (0.52) KDM1ACYP2D6CHRM4MEN1KMT2A
SCHEMBL23778364 0.77 CYP2D6 (0.52) KDM1ACYP2D6CHRM4MEN1KMT2A
SCHEMBL23778221 0.77 CYP2D6 (0.48) KDM1ACYP2D6CHRM4MEN1KMT2A
SCHEMBL23778247 0.77 CYP2D6 (0.48) KDM1ACYP2D6CHRM4MEN1KMT2A
SCHEMBL20073962 0.76 CYP2D6 (0.51) KDM1ACYP2D6MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014880-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2021-05-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11014880-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 KDM1A 1427/4885CYP2D6 261/4885CHRM4 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.